2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole

C7H8N4S2 — CID 18707957

IUPAC2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
SMILESCCc1ncn(Sc2nccs2)n1
InChIInChI=1S/C7H8N4S2/c1-2-6-9-5-11(10-6)13-7-8-3-4-12-7/h3-5H,2H2,1H3
InChIKeyBBJWMYMDPBSYNL-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.85
Rot. Bonds3

About 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole

2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole (PubChem CID 18707957) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
PubChem CID18707957
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
SMILESCCc1ncn(Sc2nccs2)n1
InChIInChI=1S/C7H8N4S2/c1-2-6-9-5-11(10-6)13-7-8-3-4-12-7/h3-5H,2H2,1H3
InChIKeyBBJWMYMDPBSYNL-UHFFFAOYSA-N
XLogP1.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole (CID 18707957) is 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole is CCc1ncn(Sc2nccs2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
The InChIKey is BBJWMYMDPBSYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-2-6-9-5-11(10-6)13-7-8-3-4-12-7/h3-5H,2H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole?
2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole has a molecular weight of 212.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18707957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).